9 citations · 10 across the 3 of their papers we have counts for
4 papers
Symmetry-Preserving Local Representation for Short-Range Interaction in Complex Materials
Hao Cheng, Tong Yang, Hao Wu +6
Modeling short-range interactions in highly disordered materials remains challenging due to the immense configuration space and the disruption of local symmetry in truncated theore…
Crystalline Material Discovery in the Era of Artificial Intelligence
Zhenzhong Wang, Haowei Hua, Wanyu Lin +2
Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy…
Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models
Zhenzhong Wang, Zehui Lin, Wanyu Lin +3
Providing explainable molecular property predictions is critical for many scientific domains, such as drug discovery and material science. Though transformer-based language models…
Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport
Haokai Hong, Wanyu Lin, Kay Chen Tan
This paper proposes a new 3D molecule generation framework, called GOAT, for fast and effective 3D molecule generation based on the flow-matching optimal transport objective. Speci…